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Lattice dynamics of β-V 2O 5 : Raman spectroscopic insight into the atomistic structure of a high-pressure vanadium pentoxide polymorph. / Baddour-Hadjean, R.; Smirnov, M. B.; Smirnov, K. S.; Kazimirov, V. Yu; Gallardo-Amores, J. M.; Amador, U.; Arroyo-De Dompablo, M. E.; Pereira-Ramos, J. P.

In: Inorganic Chemistry, Vol. 51, No. 5, 05.03.2012, p. 3194-3201.

Research output: Contribution to journal › Article › peer-review

Harvard

Baddour-Hadjean, R, Smirnov, MB, Smirnov, KS, Kazimirov, VY, Gallardo-Amores, JM, Amador, U, Arroyo-De Dompablo, ME & Pereira-Ramos, JP 2012, 'Lattice dynamics of β-V 2O 5: Raman spectroscopic insight into the atomistic structure of a high-pressure vanadium pentoxide polymorph', Inorganic Chemistry, vol. 51, no. 5, pp. 3194-3201. https://doi.org/10.1021/ic202651b

APA

Baddour-Hadjean, R., Smirnov, M. B., Smirnov, K. S., Kazimirov, V. Y., Gallardo-Amores, J. M., Amador, U., Arroyo-De Dompablo, M. E., & Pereira-Ramos, J. P. (2012). Lattice dynamics of β-V 2O 5: Raman spectroscopic insight into the atomistic structure of a high-pressure vanadium pentoxide polymorph. Inorganic Chemistry, 51(5), 3194-3201. https://doi.org/10.1021/ic202651b

Vancouver

Baddour-Hadjean R, Smirnov MB, Smirnov KS, Kazimirov VY, Gallardo-Amores JM, Amador U et al. Lattice dynamics of β-V 2O 5: Raman spectroscopic insight into the atomistic structure of a high-pressure vanadium pentoxide polymorph. Inorganic Chemistry. 2012 Mar 5;51(5):3194-3201. https://doi.org/10.1021/ic202651b

Author

Baddour-Hadjean, R. ; Smirnov, M. B. ; Smirnov, K. S. ; Kazimirov, V. Yu ; Gallardo-Amores, J. M. ; Amador, U. ; Arroyo-De Dompablo, M. E. ; Pereira-Ramos, J. P. / Lattice dynamics of β-V 2O 5 : Raman spectroscopic insight into the atomistic structure of a high-pressure vanadium pentoxide polymorph. In: Inorganic Chemistry. 2012 ; Vol. 51, No. 5. pp. 3194-3201.

BibTeX

@article{8f4fbd9916d0408d823fcf19f09194e2,
title = "Lattice dynamics of β-V 2O 5: Raman spectroscopic insight into the atomistic structure of a high-pressure vanadium pentoxide polymorph",
abstract = "We report here the Raman spectrum and lattice dynamics study of a well-crystallized β-V 2O 5 material prepared via a high-temperature/high-pressure (HT/HP) route, using α-V 2O 5 as the precursor. Periodic quantum-chemical density functional theory calculations show good agreement with the experimental results and allow one to assign the observed spectral features to specific vibrational modes in the β-V 2O 5 polymorph. Key structure-spectrum relationships are extracted from comparative analysis of the vibrational states of the β-V 2O 5 and α-V 2O 5 structures, and spectral patterns specific to the basic units of the two V 2O 5 phases are proposed for the first time. Such results open the way for the use of Raman spectroscopy for the structural characterization of vanadium oxide-based host lattices of interest in the field of lithium batteries and help us to greatly understand the atomistic mechanism involved in the α-to-β phase transition of vanadium pentoxide.",
author = "R. Baddour-Hadjean and Smirnov, {M. B.} and Smirnov, {K. S.} and Kazimirov, {V. Yu} and Gallardo-Amores, {J. M.} and U. Amador and {Arroyo-De Dompablo}, {M. E.} and Pereira-Ramos, {J. P.}",
year = "2012",
month = mar,
day = "5",
doi = "10.1021/ic202651b",
language = "English",
volume = "51",
pages = "3194--3201",
journal = "Inorganic Chemistry",
issn = "0020-1669",
publisher = "American Chemical Society",
number = "5",

}

RIS

TY - JOUR

T1 - Lattice dynamics of β-V 2O 5

T2 - Raman spectroscopic insight into the atomistic structure of a high-pressure vanadium pentoxide polymorph

AU - Baddour-Hadjean, R.

AU - Smirnov, M. B.

AU - Smirnov, K. S.

AU - Kazimirov, V. Yu

AU - Gallardo-Amores, J. M.

AU - Amador, U.

AU - Arroyo-De Dompablo, M. E.

AU - Pereira-Ramos, J. P.

PY - 2012/3/5

Y1 - 2012/3/5

N2 - We report here the Raman spectrum and lattice dynamics study of a well-crystallized β-V 2O 5 material prepared via a high-temperature/high-pressure (HT/HP) route, using α-V 2O 5 as the precursor. Periodic quantum-chemical density functional theory calculations show good agreement with the experimental results and allow one to assign the observed spectral features to specific vibrational modes in the β-V 2O 5 polymorph. Key structure-spectrum relationships are extracted from comparative analysis of the vibrational states of the β-V 2O 5 and α-V 2O 5 structures, and spectral patterns specific to the basic units of the two V 2O 5 phases are proposed for the first time. Such results open the way for the use of Raman spectroscopy for the structural characterization of vanadium oxide-based host lattices of interest in the field of lithium batteries and help us to greatly understand the atomistic mechanism involved in the α-to-β phase transition of vanadium pentoxide.

AB - We report here the Raman spectrum and lattice dynamics study of a well-crystallized β-V 2O 5 material prepared via a high-temperature/high-pressure (HT/HP) route, using α-V 2O 5 as the precursor. Periodic quantum-chemical density functional theory calculations show good agreement with the experimental results and allow one to assign the observed spectral features to specific vibrational modes in the β-V 2O 5 polymorph. Key structure-spectrum relationships are extracted from comparative analysis of the vibrational states of the β-V 2O 5 and α-V 2O 5 structures, and spectral patterns specific to the basic units of the two V 2O 5 phases are proposed for the first time. Such results open the way for the use of Raman spectroscopy for the structural characterization of vanadium oxide-based host lattices of interest in the field of lithium batteries and help us to greatly understand the atomistic mechanism involved in the α-to-β phase transition of vanadium pentoxide.

UR - http://www.scopus.com/inward/record.url?scp=84857850606&partnerID=8YFLogxK

U2 - 10.1021/ic202651b

DO - 10.1021/ic202651b

M3 - Article

AN - SCOPUS:84857850606

VL - 51

SP - 3194

EP - 3201

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 5

ER -

ID: 36168788